2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine

C12H27N3 — CID 112546747

IUPAC2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine
SMILESCC(C)CC1CNCCN1CC(C)(C)N
InChIInChI=1S/C12H27N3/c1-10(2)7-11-8-14-5-6-15(11)9-12(3,4)13/h10-11,14H,5-9,13H2,1-4H3
InChIKeyFNUMNQJGOZFTCF-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.04
Rot. Bonds4

About 2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine

2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine (PubChem CID 112546747) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine
PubChem CID112546747
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine
SMILESCC(C)CC1CNCCN1CC(C)(C)N
InChIInChI=1S/C12H27N3/c1-10(2)7-11-8-14-5-6-15(11)9-12(3,4)13/h10-11,14H,5-9,13H2,1-4H3
InChIKeyFNUMNQJGOZFTCF-UHFFFAOYSA-N
XLogP1.04
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoroethyl)-2-(2-methylpropyl)piperazine
CID 80694838
1-(2-methylbutyl)-2-(2-methylpropyl)piperazine
CID 64846849
1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 64844274
1-(2-methylpentyl)-2-(2-methylpropyl)piperazine
CID 64844865
4-[2-[2-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 82245440
1,2-bis(2-methylpropyl)-1,4-diazepane
CID 82241701
2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
CID 64844470
2-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine
CID 64846847
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine
CID 79224036
2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone
CID 82250186
4-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinoline
CID 79232796
[(2S)-1-ethylpiperazin-2-yl]methanamine
CID 178078996

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine?
The IUPAC name of 2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine (CID 112546747) is 2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine is CC(C)CC1CNCCN1CC(C)(C)N.
What is the InChIKey of 2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine?
The InChIKey is FNUMNQJGOZFTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-10(2)7-11-8-14-5-6-15(11)9-12(3,4)13/h10-11,14H,5-9,13H2,1-4H3.
What are the key properties of 2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine?
2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine has a molecular weight of 213.37 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine is sourced from PubChem (CID 112546747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).